| SpectraBase Compound ID | FPZkILuv1PP |
|---|---|
| InChI | InChI=1S/C18H18O/c1-13-11-14(2)17(15(3)12-13)9-10-18(19)16-7-5-4-6-8-16/h4-12H,1-3H3/b10-9+ |
| InChIKey | KPFVYLKSZJDQAE-MDZDMXLPSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C18H18O |
| Exact Mass | 250.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GfGs58Lxcsd |
|---|---|
| Name | (E)-3-Mesityl-1-phenylprop-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.135765199 u |
| Formula | C18H18O |
| InChI | InChI=1S/C18H18O/c1-13-11-14(2)17(15(3)12-13)9-10-18(19)16-7-5-4-6-8-16/h4-12H,1-3H3/b10-9+ |
| InChIKey | KPFVYLKSZJDQAE-MDZDMXLPSA-N |
| Molecular Weight | 250.341 g/mol |
| SMILES | C(\C=C\C1=C(C)C=C(C)C=C1C)(=O)C1=CC=CC=C1 |